V010-0223 Screening compound: 3,4-dichloro-N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}benzamide

V010-0223 Screening compound: 3,4-dichloro-N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}benzamide
V010-0223 Screening compound: 3,4-dichloro-N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0223
3,4-dichloro-N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V010-0223

Molecular Formula

C26H24Cl2N4OS (C26 H24 Cl2 N4 OS)

Compound Name

3,4-dichloro-N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}benzamide

IUPAC name

34-dichloro-N-{1-[4-(4-methylphenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-124-triazol-3-yl]ethyl}benzamide

SMILES

CC(c(n1-c2ccc(C)cc2)nnc1SCc1c(C)cccc1)NC(c(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C26H24Cl2N4OS/c1-16-8-11-21(12-9-16)32-24(18(3)29-25(33)19-10-13-22(27)23(28)14-19)30-31-26(32)34-15-20-7-5-4-6-17(20)2/h4-14,18H,15H2,1-3H3,(H,29,33)/t18-/m0/s1

InChI Key

FRPZSEIGKGIGAK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19719834

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

511.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.049

Distribution Coefficient, logD

7.048

Water Solubility, LogSw

-6.40

Polar Surface Area

48.561

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

V010-0223 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V010-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0223?
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What is the minimum amount of V010-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0223
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V010-0223 available by request